. Author manuscript; available in PMC: 2011 Dec 6.

Published in final edited form as: Mol Pharm. 2010 Nov 1;7(6):2240–2254. doi: 10.1021/mp100233v

Table 6.

Results from multivariable regression and AIC_C analysis for the selected CSP-SAR models for K_m/normV_max for Set 2. ^a

CSP-SAR Model	r²	Q²	F	W_i	K (µM)	A (µM)	B (µM/Å²)	C (µM/Å²)	D (µM)	Standardized A (µM)	Standardized B (µM/Å²)	Standardized C (µM/Å²)	Standardized D (µM)
HD, SASA_side, SASA, O7-AA-C19	0.937	0.877	71.1	24.7	− 71.9 ± 29	26.7 ± 2.6	0.454 ± 0.061	− 0.346 ± 0.077	70.7 ± 23	0.629	1.24	−0.976	0.432
HD, SASA_side, SASA, C19-AA	0.936	0.884	69.6	19.4	− 83.2 ± 28	27.8 ± 2.7	0.422 ± 0.054	− 0.313 ± 0.069	63.5 ± 21	0.656	1.15	−0.884	0.379

A, B, C and D represent the coefficient of the independent variables (molecular descriptors); K represents the coefficient of the intercept. Set 2 includes all compounds that were substrates, except the 26 and 27, which were weak substrates